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Ligand · H88

H88 · ~{N}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide

H88, ~{N}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide (C29 H26 N4 O5 S, 542.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
H88
Formula
C29 H26 N4 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

H88 in 2 structures; the first of them:

  • 6I99 · Bone Marrow Tyrosine Kinase in Chromosome X in complex with a newly designed covalent… · H88 A701 · binds LEU423, GLY424, SER425, GLY426, VAL431, ALA443, LYS445, THR489 and 12 more
  • 6I99 · Bone marrow tyrosine kinase in chromosome X in complex with a newly designed covalent… · H88 A701 · binds LEU423, SER425, VAL431, ALA443, LYS445, THR489, GLU490, TYR491 and 7 more

Residues it binds most

SER 4, LEU 4, GLY 4, ASN 4, VAL 4, ALA 4, ARG 4, CYS 4, GLU 4, ILE 4 (residue and the binding sites it lines).

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